Geometry & MOs

Info

ID:	345329
PubChem CID:	127269605
Reduced:	SN2O4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	338.130028
ΔH_f, kcal/mol:	-119.21
Dipole, Da:	1.46
IP(EA), eV:	-8.44(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CSC1=CC2=C(C=C1NC(=O)N[C@H]3[C@H](CC4=CC=CC=C34)O)OCCO2

DOS

IR

Vibrations